2-(4-benzylpiperazin-1-yl)-N-[2-(methylamino)ethyl]acetamide

C16H26N4O — CID 119500637

IUPAC2-(4-benzylpiperazin-1-yl)-N-[2-(methylamino)ethyl]acetamide
SMILESCNCCNC(=O)CN1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C16H26N4O/c1-17-7-8-18-16(21)14-20-11-9-19(10-12-20)13-15-5-3-2-4-6-15/h2-6,17H,7-14H2,1H3,(H,18,21)
InChIKeyBMGSPRUNDORLBH-UHFFFAOYSA-N
MW290.41 g/mol
LogP0.14
Rot. Bonds7

About 2-(4-benzylpiperazin-1-yl)-N-[2-(methylamino)ethyl]acetamide

2-(4-benzylpiperazin-1-yl)-N-[2-(methylamino)ethyl]acetamide (PubChem CID 119500637) has the molecular formula C16H26N4O and a molecular weight of 290.41 g/mol. Its IUPAC name is 2-(4-benzylpiperazin-1-yl)-N-[2-(methylamino)ethyl]acetamide.

Molecular Properties

Compound Name2-(4-benzylpiperazin-1-yl)-N-[2-(methylamino)ethyl]acetamide
PubChem CID119500637
Molecular FormulaC16H26N4O
Molecular Weight290.41 g/mol
Exact Mass290.21
IUPAC Name2-(4-benzylpiperazin-1-yl)-N-[2-(methylamino)ethyl]acetamide
SMILESCNCCNC(=O)CN1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C16H26N4O/c1-17-7-8-18-16(21)14-20-11-9-19(10-12-20)13-15-5-3-2-4-6-15/h2-6,17H,7-14H2,1H3,(H,18,21)
InChIKeyBMGSPRUNDORLBH-UHFFFAOYSA-N
XLogP0.14
TPSA47.61 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(4-benzylpiperazin-1-yl)-N-[2-(ethylamino)ethyl]acetamide
CID 119505382
N-[2-[[2-(4-benzylpiperazin-1-yl)acetyl]amino]ethyl]-3-fluoro-4-methylbenzamide
CID 30863662
2-(4-benzylpiperazin-1-yl)-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]acetamide
CID 30863248
N-[4-(4-benzylpiperazin-1-yl)butyl]-2-(methylamino)acetamide
CID 120703889
2-(4-benzylpiperazin-1-yl)-N-[2-(3-methoxyphenyl)ethyl]acetamide
CID 109000996
2-[4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]-N-(2-phenylethyl)acetamide
CID 17383605
1-(4-benzylpiperazin-1-yl)propan-2-one
CID 60649722
2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]-N-(2-phenylethyl)acetamide
CID 9257577
2-[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]-N-(2-phenylethyl)acetamide
CID 22195654
2-(4-benzylpiperazin-1-yl)-N-(cyclohexylmethyl)acetamide
CID 31127901
2-(4-benzyl-1,4-diazepan-1-yl)-N-(2-methoxyethylcarbamoyl)acetamide
CID 30640890
2-(4-benzylpiperazin-1-yl)-N-(pyridin-2-ylmethyl)acetamide
CID 46488455

Frequently Asked Questions

What is the IUPAC name of 2-(4-benzylpiperazin-1-yl)-N-[2-(methylamino)ethyl]acetamide?
The IUPAC name of 2-(4-benzylpiperazin-1-yl)-N-[2-(methylamino)ethyl]acetamide (CID 119500637) is 2-(4-benzylpiperazin-1-yl)-N-[2-(methylamino)ethyl]acetamide.
What is the SMILES notation for 2-(4-benzylpiperazin-1-yl)-N-[2-(methylamino)ethyl]acetamide?
The canonical SMILES for 2-(4-benzylpiperazin-1-yl)-N-[2-(methylamino)ethyl]acetamide is CNCCNC(=O)CN1CCN(Cc2ccccc2)CC1.
What is the InChIKey of 2-(4-benzylpiperazin-1-yl)-N-[2-(methylamino)ethyl]acetamide?
The InChIKey is BMGSPRUNDORLBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O/c1-17-7-8-18-16(21)14-20-11-9-19(10-12-20)13-15-5-3-2-4-6-15/h2-6,17H,7-14H2,1H3,(H,18,21).
What are the key properties of 2-(4-benzylpiperazin-1-yl)-N-[2-(methylamino)ethyl]acetamide?
2-(4-benzylpiperazin-1-yl)-N-[2-(methylamino)ethyl]acetamide has a molecular weight of 290.41 g/mol, XLogP of 0.14, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzylpiperazin-1-yl)-N-[2-(methylamino)ethyl]acetamide is sourced from PubChem (CID 119500637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).